2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C11H18N2O2 — CID 63891060

IUPAC2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CC(C)(C)C)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-5-7-9(14)12-8(13-10(7)15)6-11(2,3)4/h5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyLRCKMWBIARXJJN-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.63
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63891060) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63891060
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CC(C)(C)C)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-5-7-9(14)12-8(13-10(7)15)6-11(2,3)4/h5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyLRCKMWBIARXJJN-UHFFFAOYSA-N
XLogP1.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 63891060) is 2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(CC(C)(C)C)[nH]c1=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is LRCKMWBIARXJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-7-9(14)12-8(13-10(7)15)6-11(2,3)4/h5-6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63891060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).